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Robert Zaleśny, RobertW. Góra, Josep M. Luis, Wojciech Bartkowiak
On the particular importance of vibrational contributions to the static electrical properties of model linear molecules under spatial confinement
Phys. Chem. Chem. Phys., 2015, 17, 21782-21786
DOI: 10.1039/c5cp02865e

Marta González-Bártulos, Clara Aceves-Luquero, Jamal Qualai, Olaf Cussó, M. Ángeles Martínez, Silvia Fernández de Mattos, Javier A. Menéndez, Priam Villalonga, Miquel Costas, Xavi Ribas, Anna Massaguer, SujitKumar Bhutia
Pro-Oxidant Activity of Amine-Pyridine-Based Iron Complexes Efficiently Kills Cancer and Cancer Stem-Like Cells
PLoS ONE, 2015, 10, e0137800
DOI: 10.1371/journal.pone.0137800

Božidar Čobeljić, Andrej Pevec, Stepan Stepanović, Vojislav Spasojević, Milica Milenković, Iztok Turel, Marcel Swart, Maja Gruden-Pavlović, Kawther Adaila, Katarina Anđelković
Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino)benzaldehyde
Polyhedron, 2015, 89, 271-279
DOI: 10.1016/j.poly.2015.01.024

JuanPablo Martínez, Sílvia Osuna, Miquel Solà, Alexander A. Voityuk
Extent of charge separation and exciton delocalization for electronically excited states in a triphenylamine-C60 donor–acceptor conjugate: a combined molecular dynamics and TD-DFT study
Theor Chem Acc, 2015, 134, 12
DOI: 10.1007/s00214-015-1614-x

Sai Vikrama Chaitanya Vummaleti, Luigi Cavallo, Albert Poater
The driving force role of ruthenacyclobutanes
Theor Chem Acc, 2015, 134, 22
DOI: 10.1007/s00214-015-1622-x

Halina Szatyłowicz, Tadeusz M. Krygowski, Miquel Solà, Marcin Palusiak, Justyna Dominikowska, Olga A. Stasyuk, Jordi Poater
Why 1,2-quinone derivatives are more stable than their 2,3-analogues?
Theor Chem Acc, 2015, 134, 35
DOI: 10.1007/s00214-015-1635-5

Ramon Carbó-Dorca, Diego Barragán
Communications on quantum similarity (4): collective distances computed by means of similarity matrices, as generators of intrinsic ordering among quantum multimolecular polyhedra
WIREs. Comput. Mol. Sci., 2015, 5, 380-404
DOI: 10.1002/wcms.1223

Sai Vikrama Chaitanya Vummaleti, Laura Falivene, Albert Poater, Luigi Cavallo
Deconstructing Selectivity in the Gold-Promoted Cyclization of Alkynyl Benzothioamides to Six-Membered Mesoionic Carbene or Acyclic Carbene Complexes
ACS Catal., 2014, 4, 1287-1291
DOI: 10.1021/cs5001575

Adrián Gómez-Suárez, Danila Gasperini, Sai V. C. Vummaleti, Albert Poater, Luigi Cavallo, Steven P. Nolan
Highly Efficient and Eco-Friendly Gold-Catalyzed Synthesis of Homoallylic Ketones
ACS Catal., 2014, 4, 2701-2705
DOI: 10.1021/cs500806m

Mercè Canta, David Font, Laura Gómez, Xavi Ribas, Miquel Costas
The Iron(II) Complex [Fe(CF_3SO3)₂(mcp)] as a Convenient, Readily Available Catalyst for the Selective Oxidation of Methylenic Sites in Alkanes
Adv. Synth. Catal., 2014, 356, 818-830
DOI: 10.1002/adsc.201300923